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6H-Dibenzo[a,g]quinolizine-10-carboxylic acid, 5,8,8a,9,10,11,13,13a-octahydro-2,3-dimethoxy-11-oxo-, methyl ester, (8a.alpha.,13a.beta.)-
SpectraBase Compound ID DUjm6g2ydEy
InChI InChI=1S/C21H25NO5/c1-25-19-9-12-4-5-22-11-14-6-16(21(24)27-3)18(23)8-13(14)7-17(22)15(12)10-20(19)26-2/h8-10,14,16-17H,4-7,11H2,1-3H3/t14-,16?,17-/m0/s1
InChIKey DFDVLGMDMCDUNB-NZEUDUFCSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sQFTjk7pML
Name 6H-Dibenzo[a,g]quinolizine-10-carboxylic acid, 5,8,8a,9,10,11,13,13a-octahydro-2,3-dimethoxy-11-oxo-, methyl ester, (8a.alpha.,13a.beta.)-
Alternate Name(s) Methyl (8aR,13aS)-2,3-dimethoxy-11-oxo-5,8,8a,9,10,11,13,13a-octahydro-6H-isoquino[3,2-a]isoquinoline-10-carboxylate Methyl ester of 7,8-dimethoxy-14-oxo-12,13-didehydroberban-15-carboxylic acid
CAS Registry Number 59904-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-25-19-9-12-4-5-22-11-14-6-16(21(24)27-3)18(23)8-13(14)7-17(22)15(12)10-20(19)26-2/h8-10,14,16-17H,4-7,11H2,1-3H3/t14-,16?,17-/m0/s1
InChIKey DFDVLGMDMCDUNB-NZEUDUFCSA-N
Molecular Weight 371.433 g/mol
SMILES [C@@]12(N(CCc3cc(c(cc23)OC)OC)C[C@]2(C(C1)=CC(C(C2)C(=O)OC)=O)[H])[H]
SPLASH splash10-0596-0975000000-a7382d954bcffc504a1e
Source of Spectrum K-109-1733-0
Wiley ID 1355000